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List of works by Erin R. Johnson

A benchmark for non-covalent interactions in solids ⬇️

scientific article published on August 7, 2012

A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule

scientific article published on 9 January 2018

A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism

scientific article published in 2022

Analysis of Density-Functional Errors for Noncovalent Interactions between Charged Molecules

scientific article published on 31 December 2019

Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions.

scientific article published on 25 July 2011

Application of XDM to ionic solids: The importance of dispersion for bulk moduli and crystal geometries

scientific article published on 01 August 2020

Are dispersion corrections accurate outside equilibrium? A case study on benzene.

scientific article

Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately

scientific article published on 09 March 2020

Clusters in Liquid Fatty Acids: Structure and Role in Nucleation

scientific article published on 01 August 2019

Communication: Becke's virial exciton model gives accurate charge-transfer excitation energies

scientific article published on 01 December 2018

Communication: Correct charge transfer in CT complexes from the Becke’05 density functional

scientific article published on 01 June 2018

Composite and Low-Cost Approaches for Molecular Crystal Structure Prediction

scientific article published on 08 March 2018

Computational modeling of piezochromism in molecular crystals

scientific article published on 01 June 2020

Correction to Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality

scientific article published on 04 June 2018

Density-functional description of alkalides: introducing the alkalide state

scientific article published on 16 October 2018

Dependence of dispersion coefficients on atomic environment ⬇️

scientific article published on December 21, 2011

Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals

scientific article published on 16 August 2019

Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality.

scientific article

Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model.

scientific article published on 17 November 2017

Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model

scientific article published on 22 June 2018

Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction II: Nonplanar Molecules

scientific article published on 21 September 2017

Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction.

scientific article published on 15 December 2016

Gold(i) sulfide: unusual bonding and an unexpected computational challenge in a simple solid

scientific article published on 22 May 2019

Hydroboration Catalyzed by 1,2,4,3-Triazaphospholenes

scientific article published on 10 October 2017

Origin of Nanoscale Friction Contrast between Supported Graphene, MoS2, and a Graphene/MoS2 Heterostructure

scientific article published on 08 July 2019

Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals

scientific article published on 09 October 2018

Potent Inhibition of Mandelate Racemase by Boronic Acids: Boron as a Mimic of a Carbon Acid Center

scientific article published on 10 August 2020

Quantitative Electron Delocalization in Solids from Maximally Localized Wannier Functions

scientific article published in August 2018

Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols

scientific article published on 11 September 2019

Revealing non-covalent interactions in solids: NCI plots revisited ⬇️

scientific article published on July 31, 2012

Revealing noncovalent interactions

scientific article

Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory ⬇️

scientific article published on 09 December 2010

Spin-state splittings, highest-occupied-molecular-orbital and lowest-unoccupied-molecular-orbital energies, and chemical hardness ⬇️

scientific article published on October 28, 2010

Structure and formation of highly luminescent protein-stabilized gold clusters.

scientific article published on 5 February 2018

Theoretical Descriptors of Electrides

scientific article published on 09 November 2018

Theoretical investigation of amino-acid adsorption on hydroxylated quartz surfaces: dispersion can determine enantioselectivity

scientific article published on 13 July 2020

Van der Waals interactions in solids using the exchange-hole dipole moment model ⬇️

scientific article published on May 7, 2012

Variational fractional-spin density-functional theory for diradicals ⬇️

scientific article published on September 21, 2012

What is "many-body" dispersion and should I worry about it?

scientific article published on 14 April 2020

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